Erlotinib

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Properties Simple | Detailed

Formula C22H23N3O4
IUPAC Name n-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
Molecular Mass 393.436 g·mol−1
Heat of Formation -71.5 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 403.99 Å 3
Surface Area 365.4 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
Synonyms
  • 4-quinazolinamine, n-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-,
  • [6,7-bis(2-methoxy-ethoxy)quinazoline-4-yl]-(3-ethynylphenyl)amine
  • [6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-(3-ethynylphenyl)amine
  • bcb03_000783
  • erlotinib(tarceva)
  • k00241
  • n-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CAS Number(s)
  • 183321-74-6
InChIKey AAKJLRGGTJKAMG-UHFFFAOYSA-N
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